ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate

C14H26O3Si — CID 58461611

IUPACethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
SMILESC#C[C@H](CCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-8-12(10-11-13(15)16-9-2)17-18(6,7)14(3,4)5/h1,12H,9-11H2,2-7H3/t12-/m1/s1
InChIKeyIIWBGCILZNOBQG-GFCCVEGCSA-N
MW270.44 g/mol
LogP3.35
Rot. Bonds6

About ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate

ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate (PubChem CID 58461611) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate.

Molecular Properties

Compound Nameethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
PubChem CID58461611
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
SMILESC#C[C@H](CCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-8-12(10-11-13(15)16-9-2)17-18(6,7)14(3,4)5/h1,12H,9-11H2,2-7H3/t12-/m1/s1
InChIKeyIIWBGCILZNOBQG-GFCCVEGCSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The IUPAC name of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate (CID 58461611) is ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate.
What is the SMILES notation for ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The canonical SMILES for ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate is C#C[C@H](CCC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The InChIKey is IIWBGCILZNOBQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-8-12(10-11-13(15)16-9-2)17-18(6,7)14(3,4)5/h1,12H,9-11H2,2-7H3/t12-/m1/s1.
What are the key properties of ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate has a molecular weight of 270.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate is sourced from PubChem (CID 58461611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).